?-Cyclodextrin, 6A,6B,6C,6D,6E,6F-hexakis-S-(2-carboxyethyl)-6A,6B,6C,6D,6E,6F-hexathio-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C54H84O36S6
Molecular Weight	1501.613
Optical Activity	UNSPECIFIED
Defined Stereocenters	30 / 30
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ?-Cyclodextrin, 6<SUP>A</SUP>,6<SUP>B</SUP>,6<SUP>C</SUP>,6<SUP>D</SUP>,6<SUP>E</SUP>,6<SUP>F</SUP>-hexakis-S-(2-carboxyethyl)-6<SUP>A</SUP>,6<SUP>B</SUP>,6<SUP>C</SUP>,6<SUP>D</SUP>,6<SUP>E</SUP>,6<SUP>F</SUP>-hexathio-

Structure Search

SMILES

O[C@@H]1[C@@H](O)[C@@H]2O[C@H]3O[C@H](CSCCC(O)=O)[C@@H](O[C@H]4O[C@H](CSCCC(O)=O)[C@@H](O[C@H]5O[C@H](CSCCC(O)=O)[C@@H](O[C@H]6O[C@H](CSCCC(O)=O)[C@@H](O[C@H]7O[C@H](CSCCC(O)=O)[C@@H](O[C@H]1O[C@@H]2CSCCC(O)=O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O

InChI

InChIKey=FNBPQUOWWRWJGA-ILPYUXKBSA-N

InChI=1S/C54H84O36S6/c55-25(56)1-7-91-13-19-43-31(67)37(73)49(79-19)86-44-20(14-92-8-2-26(57)58)81-51(39(75)33(44)69)88-46-22(16-94-10-4-28(61)62)83-53(41(77)35(46)71)90-48-24(18-96-12-6-30(65)66)84-54(42(78)36(48)72)89-47-23(17-95-11-5-29(63)64)82-52(40(76)34(47)70)87-45-21(15-93-9-3-27(59)60)80-50(85-43)38(74)32(45)68/h19-24,31-54,67-78H,1-18H2,(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)/t19-,20-,21-,22-,23-,24-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C54H84O36S6
Molecular Weight	1501.613
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	30 / 30
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:17:24 GMT 2025` Edited by `admin` on `Wed Apr 02 20:17:24 GMT 2025`
Record UNII	LX5YDZ8M2T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-[[(1S,3S,5S,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-10,15,20,25,30-pentakis(2-carboxyethylsulfanylmethyl)-31,32,33,34,35,36,37,38,39,40,41,42-dodecahydroxy-2,4,7,9,12,14,17,19,22,24,27,

Preferred Name

English

?-Cyclodextrin, 6A,6B,6C,6D,6E,6F-hexakis-S-(2-carboxyethyl)-6A,6B,6C,6D,6E,6F-hexathio-

Common Name

English

Code System Code Type Description

FDA UNII

LX5YDZ8M2T

Created by admin on Wed Apr 02 20:17:24 GMT 2025 , Edited by admin on Wed Apr 02 20:17:24 GMT 2025

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PUBCHEM

10866216

Created by admin on Wed Apr 02 20:17:24 GMT 2025 , Edited by admin on Wed Apr 02 20:17:24 GMT 2025

PRIMARY

CAS

779318-36-4

Created by admin on Wed Apr 02 20:17:24 GMT 2025 , Edited by admin on Wed Apr 02 20:17:24 GMT 2025

PRIMARY

Related Record Type Details


					76X4T8Y8BW

?-Cyclodextrin, 6A,6B,6C,6D,6E,6F-hexakis-S-(2-carboxyethyl)-6A,6B,6C,6D,6E,6F-hexathio-, hexasodium salt

SALT/SOLVATE -> PARENT

Amount: